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89804-99-9 | 4(3H)-Quinazolinone, 6-chloro-3-[(phenylmethyl)amino]-
CAS No: 89804-99-9 Catalog No: AG003YAI MDL No:
Product Description
Catalog Number:
AG003YAI
Chemical Name:
4(3H)-Quinazolinone, 6-chloro-3-[(phenylmethyl)amino]-
CAS Number:
89804-99-9
Molecular Formula:
C15H12ClN3O
Molecular Weight:
285.7283
IUPAC Name:
3-(benzylamino)-6-chloroquinazolin-4-one
InChI:
InChI=1S/C15H12ClN3O/c16-12-6-7-14-13(8-12)15(20)19(10-17-14)18-9-11-4-2-1-3-5-11/h1-8,10,18H,9H2
InChI Key:
PWNHWOJDKRWLIF-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)n(cn2)NCc1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.731g/mol
Monoisotopic Mass:
285.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
44.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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